N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-sulfanylidenemethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)thiocarbamoyl]-4-pyrrolidinosulfonyl-benzamide Formula: C20H20N4O3S3 MolecularWeight: 460.5928

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=NC(=S)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=N/C(=S)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H20N4O3S3/c1-23-16-6-2-3-7-17(16)29-20(23)22-19(28)21-18(25)14-8-10-15(11-9-14)30(26,27)24-12-4-5-13-24/h2-3,6-11H,4-5,12-13H2,1H3,(H,21,25,28)/b22-20+