1-[[1-(2-bromophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-(3,4-dimethylphenyl)thiourea

Systemtic Name: 1-[[1-(2-bromophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-[[1-(2-bromophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-[[[1-(2-bromophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-[[1-(2-bromophenyl)-5-keto-pyrrolidine-3-carbonyl]amino]-3-(3,4-dimethylphenyl)thiourea Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3Br)C

InChI

InChI=1S/C20H21BrN4O2S/c1-12-7-8-15(9-13(12)2)22-20(28)24-23-19(27)14-10-18(26)25(11-14)17-6-4-3-5-16(17)21/h3-9,14H,10-11H2,1-2H3,(H,23,27)(H2,22,24,28)