1-[[6-(3-bromanylphenoxy)pyridin-3-yl]carbonylamino]-3-(3-chloranyl-2-methyl-phenyl)thiourea

Systemtic Name: 1-[[6-(3-bromanylphenoxy)pyridin-3-yl]carbonylamino]-3-(3-chloranyl-2-methyl-phenyl)thiourea Openeye Name: 1-[[6-(3-bromophenoxy)pyridine-3-carbonyl]amino]-3-(3-chloro-2-methyl-phenyl)thiourea CAS Name: 1-[[[6-(3-bromophenoxy)-3-pyridinyl]-oxomethyl]amino]-3-(3-chloro-2-methylphenyl)thiourea IUPAC Name: 1-[[6-(3-bromophenoxy)pyridine-3-carbonyl]amino]-3-(3-chloro-2-methylphenyl)thiourea Traditional Name: 1-[[6-(3-bromophenoxy)nicotinoyl]amino]-3-(3-chloro-2-methyl-phenyl)thiourea Formula: C20H16BrClN4O2S MolecularWeight: 491.78864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C2=CN=C(C=C2)OC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C2=CN=C(C=C2)OC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H16BrClN4O2S/c1-12-16(22)6-3-7-17(12)24-20(29)26-25-19(27)13-8-9-18(23-11-13)28-15-5-2-4-14(21)10-15/h2-11H,1H3,(H,25,27)(H2,24,26,29)