N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(p-tolylthio)propionamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O3S2/c1-12-3-6-14(7-4-12)25-10-9-17(22)19-18-20(2)15-11-13(21(23)24)5-8-16(15)26-18/h3-8,11H,9-10H2,1-2H3