N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-3-phenethyloxy-benzamide

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=CC=CC(=C2)C(=O)NC(=S)N(CCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC=CC(=C2)C(=O)NC(=S)N(CCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O3S/c27-24(30)14-16-29(19-21-10-5-2-6-11-21)26(33)28-25(31)22-12-7-13-23(18-22)32-17-15-20-8-3-1-4-9-20/h1-13,18H,14-17,19H2,(H2,27,30)(H,28,31,33)