3-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-methyl-N-(phenylmethyl)benzamide

Systemtic Name: 3-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-methyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[(4-butoxybenzoyl)carbamothioylamino]-N-methyl-benzamide CAS Name: 3-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-methyl-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(4-butoxybenzoyl)carbamothioylamino]-N-methylbenzamide Traditional Name: N-benzyl-3-[(4-butoxybenzoyl)thiocarbamoylamino]-N-methyl-benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3S/c1-3-4-17-33-24-15-13-21(14-16-24)25(31)29-27(34)28-23-12-8-11-22(18-23)26(32)30(2)19-20-9-6-5-7-10-20/h5-16,18H,3-4,17,19H2,1-2H3,(H2,28,29,31,34)