N-[[5-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-phenyl]carbamothioyl]benzamide

Systemtic Name: N-[[5-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-phenyl]carbamothioyl]benzamide Openeye Name: N-[[5-(2-amino-2-oxo-ethyl)-2-methoxy-phenyl]carbamothioyl]benzamide CAS Name: N-[[5-(2-amino-2-oxoethyl)-2-methoxyanilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[5-(2-amino-2-oxoethyl)-2-methoxyphenyl]carbamothioyl]benzamide Traditional Name: N-[[5-(2-amino-2-keto-ethyl)-2-methoxy-phenyl]thiocarbamoyl]benzamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N)NC(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N)NC(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H17N3O3S/c1-23-14-8-7-11(10-15(18)21)9-13(14)19-17(24)20-16(22)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,21)(H2,19,20,22,24)