N-[(2,2-diphenylethanoylamino)carbamothioyl]-3-(3-methylbutoxy)benzamide

Systemtic Name: N-[(2,2-diphenylethanoylamino)carbamothioyl]-3-(3-methylbutoxy)benzamide Openeye Name: N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-3-isopentyloxy-benzamide CAS Name: 3-(3-methylbutoxy)-N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-3-(3-methylbutoxy)benzamide Traditional Name: N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]-3-isoamoxy-benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3S/c1-19(2)16-17-33-23-15-9-14-22(18-23)25(31)28-27(34)30-29-26(32)24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-15,18-19,24H,16-17H2,1-2H3,(H,29,32)(H2,28,30,31,34)