3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]-N-(cyclohexylmethyl)benzamide

Systemtic Name: 3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]-N-(cyclohexylmethyl)benzamide Openeye Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-(cyclohexylmethyl)benzamide CAS Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-(cyclohexylmethyl)benzamide IUPAC Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-(cyclohexylmethyl)benzamide Traditional Name: 3-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]-N-(cyclohexylmethyl)benzamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=CC(=CC=C2)N3CC(=O)C(=C3N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=CC(=CC=C2)N3CC(=O)C(=C3N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H26N4O2S/c26-23-22(25-28-19-11-4-5-12-21(19)32-25)20(30)15-29(23)18-10-6-9-17(13-18)24(31)27-14-16-7-2-1-3-8-16/h4-6,9-13,16H,1-3,7-8,14-15,26H2,(H,27,31)