N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]coumarilamide Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C28H26N4O3S/c1-19-6-2-4-8-23(19)27(34)32-16-14-31(15-17-32)22-12-10-21(11-13-22)29-28(36)30-26(33)25-18-20-7-3-5-9-24(20)35-25/h2-13,18H,14-17H2,1H3,(H2,29,30,33,36)