1-[[1-[(4-chlorophenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbonylamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[[1-[(4-chlorophenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbonylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[[1-[(4-chlorophenyl)methyl]-2-oxo-pyridine-3-carbonyl]amino]thiourea CAS Name: 1-[[[1-[(4-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-oxomethyl]amino]-3-prop-2-enylthiourea IUPAC Name: 1-[[1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[[1-(4-chlorobenzyl)-2-keto-nicotinoyl]amino]thiourea Formula: C17H17ClN4O2S MolecularWeight: 376.86048

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NNC(=O)C1=CC=CN(C1=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

C=CCNC(=S)NNC(=O)C1=CC=CN(C1=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H17ClN4O2S/c1-2-9-19-17(25)21-20-15(23)14-4-3-10-22(16(14)24)11-12-5-7-13(18)8-6-12/h2-8,10H,1,9,11H2,(H,20,23)(H2,19,21,25)