4-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N4O2S/c1-26-16-9-7-15(8-10-16)21-19(25)23-11-4-12-24(14-13-23)20-22-17-5-2-3-6-18(17)27-20/h2-3,5-10H,4,11-14H2,1H3,(H,21,25)