N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[2-[(1S)-1-methylpropyl]phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: N-[[2-[(2S)-butan-2-yl]anilino]-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[2-[(1S)-1-methylpropyl]phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H19ClN2OS2 MolecularWeight: 402.96066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H19ClN2OS2/c1-3-12(2)13-8-4-6-10-15(13)22-20(25)23-19(24)18-17(21)14-9-5-7-11-16(14)26-18/h4-12H,3H2,1-2H3,(H2,22,23,24,25)/t12-/m0/s1