4-[2-[(3-chlorophenyl)carbonylamino]-4-(2-thiophen-2-ylethylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-[(3-chlorophenyl)carbonylamino]-4-(2-thiophen-2-ylethylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-[(3-chlorobenzoyl)amino]-4-[2-(2-thienyl)ethylcarbamoyl]phenyl]-N-ethyl-1,4-diazepane-1-carboxamide CAS Name: 4-[2-[[(3-chlorophenyl)-oxomethyl]amino]-4-[oxo-(2-thiophen-2-ylethylamino)methyl]phenyl]-N-ethyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-[(3-chlorobenzoyl)amino]-4-(2-thiophen-2-ylethylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-[(3-chlorobenzoyl)amino]-4-[2-(2-thienyl)ethylcarbamoyl]phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Formula: C28H32ClN5O3S MolecularWeight: 554.10338

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC3=CC=CS3)NC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCNC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC3=CC=CS3)NC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C28H32ClN5O3S/c1-2-30-28(37)34-14-5-13-33(15-16-34)25-10-9-21(26(35)31-12-11-23-8-4-17-38-23)19-24(25)32-27(36)20-6-3-7-22(29)18-20/h3-4,6-10,17-19H,2,5,11-16H2,1H3,(H,30,37)(H,31,35)(H,32,36)