3-chloranyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-(p-tolyl)thiazol-2-yl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[4-(4-methylphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-(p-tolyl)thiazol-2-yl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H14ClN3OS3 MolecularWeight: 443.99266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H14ClN3OS3/c1-11-6-8-12(9-7-11)14-10-27-20(22-14)24-19(26)23-18(25)17-16(21)13-4-2-3-5-15(13)28-17/h2-10H,1H3,(H2,22,23,24,25,26)