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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O3S2/c1-2-9-18-16(21)11-7-8-15(13(10-11)20(22)23)25-17-19-12-5-3-4-6-14(12)24-17/h2-8,10H,1,9H2,(H,18,21)