N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-pyrrolidinosulfonyl-benzamide Formula: C20H20N4O4S3 MolecularWeight: 476.5922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H20N4O4S3/c1-28-14-6-9-16-17(12-14)30-20(21-16)23-19(29)22-18(25)13-4-7-15(8-5-13)31(26,27)24-10-2-3-11-24/h4-9,12H,2-3,10-11H2,1H3,(H2,21,22,23,25,29)