methyl 2-[2-[4-[2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-heptyl-amino]ethyl]piperazin-1-yl]ethylsulfanyl]-1,3-benzoxazole-7-carboxylate

Systemtic Name: methyl 2-[2-[4-[2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-heptyl-amino]ethyl]piperazin-1-yl]ethylsulfanyl]-1,3-benzoxazole-7-carboxylate Openeye Name: methyl 2-[2-[4-[2-[(2,6-diisopropylphenyl)carbamoyl-heptyl-amino]ethyl]piperazin-1-yl]ethylsulfanyl]-1,3-benzoxazole-7-carboxylate CAS Name: 2-[2-[4-[2-[[[2,6-di(propan-2-yl)anilino]-oxomethyl]-heptylamino]ethyl]-1-piperazinyl]ethylthio]-1,3-benzoxazole-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[4-[2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-heptylamino]ethyl]piperazin-1-yl]ethylsulfanyl]-1,3-benzoxazole-7-carboxylate Traditional Name: 2-[2-[4-[2-[(2,6-diisopropylphenyl)carbamoyl-heptyl-amino]ethyl]piperazino]ethylthio]-1,3-benzoxazole-7-carboxylic acid methyl ester Formula: C37H55N5O4S MolecularWeight: 665.9287

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCN1CCN(CC1)CCSC2=NC3=CC=CC(=C3O2)C(=O)OC)C(=O)NC4=C(C=CC=C4C(C)C)C(C)C

Isomeric SMILES

CCCCCCCN(CCN1CCN(CC1)CCSC2=NC3=CC=CC(=C3O2)C(=O)OC)C(=O)NC4=C(C=CC=C4C(C)C)C(C)C

InChI

InChI=1S/C37H55N5O4S/c1-7-8-9-10-11-18-42(36(44)39-33-29(27(2)3)14-12-15-30(33)28(4)5)24-23-40-19-21-41(22-20-40)25-26-47-37-38-32-17-13-16-31(34(32)46-37)35(43)45-6/h12-17,27-28H,7-11,18-26H2,1-6H3,(H,39,44)