3-chloranyl-N-[[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-[ethyl(1-naphthyl)carbamoyl]phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[[ethyl(1-naphthalenyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-[ethyl(1-naphthyl)carbamoyl]phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C29H22ClN3O2S2 MolecularWeight: 544.08688

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C29H22ClN3O2S2/c1-2-33(23-12-7-9-18-8-3-4-10-21(18)23)28(35)19-14-16-20(17-15-19)31-29(36)32-27(34)26-25(30)22-11-5-6-13-24(22)37-26/h3-17H,2H2,1H3,(H2,31,32,34,36)