1-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-3-(2,3-dimethylphenyl)thiourea

Systemtic Name: 1-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-3-(2,3-dimethylphenyl)thiourea Openeye Name: 1-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-3-(2,3-dimethylphenyl)thiourea CAS Name: 1-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]-3-(2,3-dimethylphenyl)thiourea IUPAC Name: 1-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-3-(2,3-dimethylphenyl)thiourea Traditional Name: 1-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-3-(2,3-dimethylphenyl)thiourea Formula: C19H22BrN3O2S MolecularWeight: 436.36588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NNC(=O)CCC2=CC(=C(C=C2)OC)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NNC(=O)CCC2=CC(=C(C=C2)OC)Br)C

InChI

InChI=1S/C19H22BrN3O2S/c1-12-5-4-6-16(13(12)2)21-19(26)23-22-18(24)10-8-14-7-9-17(25-3)15(20)11-14/h4-7,9,11H,8,10H2,1-3H3,(H,22,24)(H2,21,23,26)