2-azanyl-N-(1,3-benzothiazol-2-yl)-1H-1,5-benzodiazepine-3-carboxamide

Systemtic Name: 2-azanyl-N-(1,3-benzothiazol-2-yl)-1H-1,5-benzodiazepine-3-carboxamide Openeye Name: 2-amino-N-(1,3-benzothiazol-2-yl)-1H-1,5-benzodiazepine-3-carboxamide CAS Name: 2-amino-N-(1,3-benzothiazol-2-yl)-1H-1,5-benzodiazepine-3-carboxamide IUPAC Name: 2-amino-N-(1,3-benzothiazol-2-yl)-1H-1,5-benzodiazepine-3-carboxamide Traditional Name: 2-amino-N-(1,3-benzothiazol-2-yl)-1H-1,5-benzodiazepine-3-carboxamide Formula: C17H13N5OS MolecularWeight: 335.38302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C=N2)C(=O)NC3=NC4=CC=CC=C4S3)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(C=N2)C(=O)NC3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C17H13N5OS/c18-15-10(9-19-11-5-1-2-6-12(11)20-15)16(23)22-17-21-13-7-3-4-8-14(13)24-17/h1-9,20H,18H2,(H,21,22,23)