1-[2-[4-[(4-bromophenyl)carbamothioyl]piperazin-1-yl]ethyl]-3-(2-methoxyphenyl)urea

Systemtic Name: 1-[2-[4-[(4-bromophenyl)carbamothioyl]piperazin-1-yl]ethyl]-3-(2-methoxyphenyl)urea Openeye Name: 1-[2-[4-[(4-bromophenyl)carbamothioyl]piperazin-1-yl]ethyl]-3-(2-methoxyphenyl)urea CAS Name: 1-[2-[4-[(4-bromoanilino)-sulfanylidenemethyl]-1-piperazinyl]ethyl]-3-(2-methoxyphenyl)urea IUPAC Name: 1-[2-[4-[(4-bromophenyl)carbamothioyl]piperazin-1-yl]ethyl]-3-(2-methoxyphenyl)urea Traditional Name: 1-[2-[4-[(4-bromophenyl)thiocarbamoyl]piperazino]ethyl]-3-(2-methoxyphenyl)urea Formula: C21H26BrN5O2S MolecularWeight: 492.43244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)NCCN2CCN(CC2)C(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC=C1NC(=O)NCCN2CCN(CC2)C(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H26BrN5O2S/c1-29-19-5-3-2-4-18(19)25-20(28)23-10-11-26-12-14-27(15-13-26)21(30)24-17-8-6-16(22)7-9-17/h2-9H,10-15H2,1H3,(H,24,30)(H2,23,25,28)