N5-(1,3-benzothiazol-2-ylmethyl)-N3-cyclopropyl-4-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide

Systemtic Name: N5-(1,3-benzothiazol-2-ylmethyl)-N3-cyclopropyl-4-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide Openeye Name: N5-(1,3-benzothiazol-2-ylmethyl)-1-benzyl-N3-cyclopropyl-4-oxo-pyridine-3,5-dicarboxamide CAS Name: N5-(1,3-benzothiazol-2-ylmethyl)-N3-cyclopropyl-4-oxo-1-(phenylmethyl)pyridine-3,5-dicarboxamide IUPAC Name: 5-N-(1,3-benzothiazol-2-ylmethyl)-1-benzyl-3-N-cyclopropyl-4-oxopyridine-3,5-dicarboxamide Traditional Name: N'-(1,3-benzothiazol-2-ylmethyl)-1-benzyl-N-cyclopropyl-4-keto-dinicotinamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CN(C=C(C2=O)C(=O)NCC3=NC4=CC=CC=C4S3)CC5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C2=CN(C=C(C2=O)C(=O)NCC3=NC4=CC=CC=C4S3)CC5=CC=CC=C5

InChI

InChI=1S/C25H22N4O3S/c30-23-18(24(31)26-12-22-28-20-8-4-5-9-21(20)33-22)14-29(13-16-6-2-1-3-7-16)15-19(23)25(32)27-17-10-11-17/h1-9,14-15,17H,10-13H2,(H,26,31)(H,27,32)