3-chloranyl-N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H18ClN3O2S2 MolecularWeight: 443.96952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)NC(=O)C4CC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)NC(=O)C4CC4

InChI

InChI=1S/C21H18ClN3O2S2/c1-11-6-9-13(10-15(11)24-19(26)12-7-8-12)23-21(28)25-20(27)18-17(22)14-4-2-3-5-16(14)29-18/h2-6,9-10,12H,7-8H2,1H3,(H,24,26)(H2,23,25,27,28)