1-[2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoylamino]-3-(3,4-dimethylphenyl)thiourea

Systemtic Name: 1-[2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoylamino]-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-[[2-[(4-bromophenyl)sulfonyl-methyl-amino]acetyl]amino]-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-[[2-[(4-bromophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-[[2-[brosyl(methyl)amino]acetyl]amino]-3-(3,4-dimethylphenyl)thiourea Formula: C18H21BrN4O3S2 MolecularWeight: 485.41834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN4O3S2/c1-12-4-7-15(10-13(12)2)20-18(27)22-21-17(24)11-23(3)28(25,26)16-8-5-14(19)6-9-16/h4-10H,11H2,1-3H3,(H,21,24)(H2,20,22,27)