4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(4-nitrophenyl)amino]ethyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(4-nitrophenyl)amino]ethyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-nitroanilino)ethyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[2-(4-nitroanilino)ethyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-nitroanilino)ethyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[2-(4-nitroanilino)ethyl]butyramide Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O3S2/c24-18(21-12-11-20-14-7-9-15(10-8-14)23(25)26)6-3-13-27-19-22-16-4-1-2-5-17(16)28-19/h1-2,4-5,7-10,20H,3,6,11-13H2,(H,21,24)