N-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: N-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: N-[[4-[(3-methoxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: N-[[4-(3-methoxypropylcarbamoyl)phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3

Isomeric SMILES

COCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O4S/c1-33-18-7-17-28-25(31)21-12-14-22(15-13-21)29-27(35)30-26(32)23-10-5-6-11-24(23)34-19-16-20-8-3-2-4-9-20/h2-6,8-15H,7,16-19H2,1H3,(H,28,31)(H2,29,30,32,35)