1-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-1-phenethyl-thiourea

Systemtic Name: 1-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-1-phenethyl-thiourea Openeye Name: 1-[1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-methyl-1-phenethyl-thiourea CAS Name: 1-[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-3-methyl-1-phenethylthiourea IUPAC Name: 1-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-1-phenethylthiourea Traditional Name: 1-[1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]-3-methyl-1-phenethyl-thiourea Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N(CCC1=CC=CC=C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CNC(=S)N(CCC1=CC=CC=C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3O2S/c1-22-20(27)23(12-11-14-5-3-2-4-6-14)17-13-18(25)24(19(17)26)16-9-7-15(21)8-10-16/h2-10,17H,11-13H2,1H3,(H,22,27)