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

Systemtic Name: N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-pyrrolidinosulfonyl-benzamide Formula: C20H20N4O3S3 MolecularWeight: 460.5928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H20N4O3S3/c1-13-4-9-16-17(12-13)29-20(21-16)23-19(28)22-18(25)14-5-7-15(8-6-14)30(26,27)24-10-2-3-11-24/h4-9,12H,2-3,10-11H2,1H3,(H2,21,22,23,25,28)