N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-4-pyrrolidinosulfonyl-benzamide Formula: C27H26N4O3S4 MolecularWeight: 582.78034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C27H26N4O3S4/c32-24(17-11-13-18(14-12-17)38(33,34)31-15-5-6-16-31)29-27(35)30-26-23(19-7-1-3-9-21(19)36-26)25-28-20-8-2-4-10-22(20)37-25/h2,4,8,10-14H,1,3,5-7,9,15-16H2,(H2,29,30,32,35)