1-[(5-chloranyl-2-methoxy-phenyl)carbonylamino]-3-(2-phenylsulfanylethyl)thiourea

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)carbonylamino]-3-(2-phenylsulfanylethyl)thiourea Openeye Name: 1-[(5-chloro-2-methoxy-benzoyl)amino]-3-(2-phenylsulfanylethyl)thiourea CAS Name: 1-[[(5-chloro-2-methoxyphenyl)-oxomethyl]amino]-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-[(5-chloro-2-methoxybenzoyl)amino]-3-(2-phenylsulfanylethyl)thiourea Traditional Name: 1-[(5-chloro-2-methoxy-benzoyl)amino]-3-[2-(phenylthio)ethyl]thiourea Formula: C17H18ClN3O2S2 MolecularWeight: 395.92672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)NNC(=S)NCCSC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NNC(=S)NCCSC2=CC=CC=C2

InChI

InChI=1S/C17H18ClN3O2S2/c1-23-15-8-7-12(18)11-14(15)16(22)20-21-17(24)19-9-10-25-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,20,22)(H2,19,21,24)