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

Systemtic Name: 2-[(4-tert-butylphenyl)carbonylcarbamothioyl-methyl-amino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[(4-tert-butylbenzoyl)carbamothioyl-methyl-amino]benzamide CAS Name: 2-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-methylamino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[(4-tert-butylbenzoyl)carbamothioyl-methylamino]benzamide Traditional Name: N-benzyl-2-[(4-tert-butylbenzoyl)thiocarbamoyl-methyl-amino]benzamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O2S/c1-27(2,3)21-16-14-20(15-17-21)24(31)29-26(33)30(4)23-13-9-8-12-22(23)25(32)28-18-19-10-6-5-7-11-19/h5-17H,18H2,1-4H3,(H,28,32)(H,29,31,33)