methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-5-(4-nitrophenyl)sulfanyl-benzoate

Systemtic Name: methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-5-(4-nitrophenyl)sulfanyl-benzoate Openeye Name: methyl 2-[(2,6-diisopropylphenyl)carbamoylamino]-5-(4-nitrophenyl)sulfanyl-benzoate CAS Name: 2-[[[2,6-di(propan-2-yl)anilino]-oxomethyl]amino]-5-[(4-nitrophenyl)thio]benzoic acid methyl ester IUPAC Name: methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-5-(4-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(2,6-diisopropylphenyl)carbamoylamino]-5-[(4-nitrophenyl)thio]benzoic acid methyl ester Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC2=C(C=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC2=C(C=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C27H29N3O5S/c1-16(2)21-7-6-8-22(17(3)4)25(21)29-27(32)28-24-14-13-20(15-23(24)26(31)35-5)36-19-11-9-18(10-12-19)30(33)34/h6-17H,1-5H3,(H2,28,29,32)