N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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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)OCCOC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O4S/c1-27(2,3)21-14-12-19(13-15-21)25(32)29-30-26(35)28-24(31)20-8-7-11-23(18-20)34-17-16-33-22-9-5-4-6-10-22/h4-15,18H,16-17H2,1-3H3,(H,29,32)(H2,28,30,31,35)