4-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)sulfonyl-N-prop-2-enyl-piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)sulfonyl-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)sulfonyl]-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-(2-keto-1,3-dimethyl-benzimidazol-5-yl)sulfonyl-piperazine-1-carbothioamide Formula: C17H23N5O3S2 MolecularWeight: 409.52622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=S)NCC=C)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=S)NCC=C)N(C1=O)C

InChI

InChI=1S/C17H23N5O3S2/c1-4-7-18-16(26)21-8-10-22(11-9-21)27(24,25)13-5-6-14-15(12-13)20(3)17(23)19(14)2/h4-6,12H,1,7-11H2,2-3H3,(H,18,26)