N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-4-phenethyloxy-benzamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-4-phenethyloxybenzamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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