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

Systemtic Name: 1-(2-methoxyphenyl)-3-[2-[4-(phenylcarbamothioyl)piperazin-1-yl]ethyl]urea Openeye Name: 1-(2-methoxyphenyl)-3-[2-[4-(phenylcarbamothioyl)piperazin-1-yl]ethyl]urea CAS Name: 1-[2-[4-[anilino(sulfanylidene)methyl]-1-piperazinyl]ethyl]-3-(2-methoxyphenyl)urea IUPAC Name: 1-(2-methoxyphenyl)-3-[2-[4-(phenylcarbamothioyl)piperazin-1-yl]ethyl]urea Traditional Name: 1-(2-methoxyphenyl)-3-[2-[4-(phenylthiocarbamoyl)piperazino]ethyl]urea Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2S/c1-28-19-10-6-5-9-18(19)24-20(27)22-11-12-25-13-15-26(16-14-25)21(29)23-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,23,29)(H2,22,24,27)