N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-3-phenethyloxy-benzamide

Systemtic Name: N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

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