4-(4-methylphenyl)sulfanyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(p-tolylsulfanyl)butanamide CAS Name: 4-[(4-methylphenyl)thio]-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(p-tolylthio)butyramide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S2/c1-3-12-23-18-11-8-16(24(26)27)14-19(18)29-21(23)22-20(25)5-4-13-28-17-9-6-15(2)7-10-17/h3,6-11,14H,1,4-5,12-13H2,2H3