4-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopropyl-3-nitro-benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopropyl-3-nitro-benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopropyl-3-nitro-benzamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-cyclopropyl-3-nitrobenzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopropyl-3-nitrobenzamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-cyclopropyl-3-nitro-benzamide Formula: C17H13N3O3S2 MolecularWeight: 371.43342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O3S2/c21-16(18-11-6-7-11)10-5-8-15(13(9-10)20(22)23)25-17-19-12-3-1-2-4-14(12)24-17/h1-5,8-9,11H,6-7H2,(H,18,21)