N-methyl-3-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-N-phenyl-benzamide

Systemtic Name: N-methyl-3-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-N-phenyl-benzamide Openeye Name: 3-[(3-isopentyloxybenzoyl)carbamothioylamino]-N-methyl-N-phenyl-benzamide CAS Name: N-methyl-3-[[[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: N-methyl-3-[[3-(3-methylbutoxy)benzoyl]carbamothioylamino]-N-phenylbenzamide Traditional Name: 3-[(3-isoamoxybenzoyl)thiocarbamoylamino]-N-methyl-N-phenyl-benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)C3=CC=CC=C3

InChI

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