2-[(4-butoxyphenyl)carbonylcarbamothioyl-methyl-amino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[(4-butoxyphenyl)carbonylcarbamothioyl-methyl-amino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[(4-butoxybenzoyl)carbamothioyl-methyl-amino]benzamide CAS Name: 2-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-methylamino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[(4-butoxybenzoyl)carbamothioyl-methylamino]benzamide Traditional Name: N-benzyl-2-[(4-butoxybenzoyl)thiocarbamoyl-methyl-amino]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)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3

InChI

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