N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)N)C(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)N)C(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O4S/c27-24(30)14-15-29(19-20-8-3-1-4-9-20)26(34)28-25(31)21-10-7-13-23(18-21)33-17-16-32-22-11-5-2-6-12-22/h1-13,18H,14-17,19H2,(H2,27,30)(H,28,31,34)