N-[(4-acetamido-3-octoxy-phenyl)-(phenylmethyl)carbamothioyl]benzamide

Systemtic Name: N-[(4-acetamido-3-octoxy-phenyl)-(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-[(4-acetamido-3-octoxy-phenyl)-benzyl-carbamothioyl]benzamide CAS Name: N-[(4-acetamido-3-octoxy-N-(phenylmethyl)anilino)-sulfanylidenemethyl]benzamide IUPAC Name: N-[(4-acetamido-3-octoxyphenyl)-benzylcarbamothioyl]benzamide Traditional Name: N-[(4-acetamido-3-octoxy-phenyl)-benzyl-thiocarbamoyl]benzamide Formula: C31H37N3O3S MolecularWeight: 531.70878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC(=C1)N(CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCCCCCCCOC1=C(C=CC(=C1)N(CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C31H37N3O3S/c1-3-4-5-6-7-14-21-37-29-22-27(19-20-28(29)32-24(2)35)34(23-25-15-10-8-11-16-25)31(38)33-30(36)26-17-12-9-13-18-26/h8-13,15-20,22H,3-7,14,21,23H2,1-2H3,(H,32,35)(H,33,36,38)