2-(3-methylbutoxy)-N-[[4-[(3-methylphenyl)carbonylamino]phenyl]carbamothioyl]benzamide

Systemtic Name: 2-(3-methylbutoxy)-N-[[4-[(3-methylphenyl)carbonylamino]phenyl]carbamothioyl]benzamide Openeye Name: 2-isopentyloxy-N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 2-(3-methylbutoxy)-N-[[4-[[(3-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 2-isoamoxy-N-[[4-(m-toluoylamino)phenyl]thiocarbamoyl]benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3OCCC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3OCCC(C)C

InChI

InChI=1S/C27H29N3O3S/c1-18(2)15-16-33-24-10-5-4-9-23(24)26(32)30-27(34)29-22-13-11-21(12-14-22)28-25(31)20-8-6-7-19(3)17-20/h4-14,17-18H,15-16H2,1-3H3,(H,28,31)(H2,29,30,32,34)