ethyl 4-[[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[[4-(1,3-benzothiazol-2-yl)anilino]-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CNC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CNC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H27N3O3S/c1-2-30-23(28)18-9-7-16(8-10-18)15-25-24(29)26-19-13-11-17(12-14-19)22-27-20-5-3-4-6-21(20)31-22/h3-6,11-14,16,18H,2,7-10,15H2,1H3,(H2,25,26,29)