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

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-(4-methoxyphenyl)sulfanyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-[(4-methoxyphenyl)thio]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-[(4-methoxyphenyl)thio]-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C

InChI

InChI=1S/C21H19N3O4S2/c1-3-12-23-18-11-6-15(24(26)27)14-19(18)30-21(23)22-20(25)5-4-13-29-17-9-7-16(28-2)8-10-17/h1,6-11,14H,4-5,12-13H2,2H3