1-[2-[(2-bromophenyl)methylsulfanyl]ethanoylamino]-3-(3,4-dimethoxyphenyl)thiourea

Systemtic Name: 1-[2-[(2-bromophenyl)methylsulfanyl]ethanoylamino]-3-(3,4-dimethoxyphenyl)thiourea Openeye Name: 1-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]-3-(3,4-dimethoxyphenyl)thiourea CAS Name: 1-[[2-[(2-bromophenyl)methylthio]-1-oxoethyl]amino]-3-(3,4-dimethoxyphenyl)thiourea IUPAC Name: 1-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]-3-(3,4-dimethoxyphenyl)thiourea Traditional Name: 1-[[2-[(2-bromobenzyl)thio]acetyl]amino]-3-(3,4-dimethoxyphenyl)thiourea Formula: C18H20BrN3O3S2 MolecularWeight: 470.4037

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NNC(=O)CSCC2=CC=CC=C2Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NNC(=O)CSCC2=CC=CC=C2Br)OC

InChI

InChI=1S/C18H20BrN3O3S2/c1-24-15-8-7-13(9-16(15)25-2)20-18(26)22-21-17(23)11-27-10-12-5-3-4-6-14(12)19/h3-9H,10-11H2,1-2H3,(H,21,23)(H2,20,22,26)