1-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-3-(3-methoxyphenyl)thiourea

Systemtic Name: 1-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-3-(3-methoxyphenyl)thiourea Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NNC(=S)NC2=CC(=CC=C2)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NNC(=S)NC2=CC(=CC=C2)OC)Br

InChI

InChI=1S/C18H20BrN3O3S/c1-24-14-5-3-4-13(11-14)20-18(26)22-21-17(23)9-7-12-6-8-16(25-2)15(19)10-12/h3-6,8,10-11H,7,9H2,1-2H3,(H,21,23)(H2,20,22,26)