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

Systemtic Name: 4-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)sulfonyl-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)sulfonyl-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)sulfonyl]-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-ethylpiperazine-1-carbothioamide Traditional Name: N-ethyl-4-(2-keto-1,3-dimethyl-benzimidazol-5-yl)sulfonyl-piperazine-1-carbothioamide Formula: C16H23N5O3S2 MolecularWeight: 397.51552

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)C

Isomeric SMILES

CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)C

InChI

InChI=1S/C16H23N5O3S2/c1-4-17-15(25)20-7-9-21(10-8-20)26(23,24)12-5-6-13-14(11-12)19(3)16(22)18(13)2/h5-6,11H,4,7-10H2,1-3H3,(H,17,25)