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

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-4-methyl-benzamide Formula: C24H21N3OS3 MolecularWeight: 463.63804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H21N3OS3/c1-14-10-12-15(13-11-14)21(28)26-24(29)27-23-20(16-6-2-4-8-18(16)30-23)22-25-17-7-3-5-9-19(17)31-22/h3,5,7,9-13H,2,4,6,8H2,1H3,(H2,26,27,28,29)