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

Systemtic Name: N-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[[4-[(3-methoxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[[4-(3-methoxypropylcarbamoyl)phenyl]thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

COCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O5S/c1-33-16-6-15-28-25(31)20-11-13-22(14-12-20)29-27(36)30-26(32)21-7-5-10-24(19-21)35-18-17-34-23-8-3-2-4-9-23/h2-5,7-14,19H,6,15-18H2,1H3,(H,28,31)(H2,29,30,32,36)