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

Systemtic Name: 1-[2-[4-[(2-ethoxyphenyl)carbamothioyl]piperazin-1-yl]ethyl]-3-(2-methoxyphenyl)urea Openeye Name: 1-[2-[4-[(2-ethoxyphenyl)carbamothioyl]piperazin-1-yl]ethyl]-3-(2-methoxyphenyl)urea CAS Name: 1-[2-[4-[(2-ethoxyanilino)-sulfanylidenemethyl]-1-piperazinyl]ethyl]-3-(2-methoxyphenyl)urea IUPAC Name: 1-[2-[4-[(2-ethoxyphenyl)carbamothioyl]piperazin-1-yl]ethyl]-3-(2-methoxyphenyl)urea Traditional Name: 1-(2-methoxyphenyl)-3-[2-[4-(o-phenetylthiocarbamoyl)piperazino]ethyl]urea Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)CCNC(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)CCNC(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C23H31N5O3S/c1-3-31-21-11-7-5-9-19(21)26-23(32)28-16-14-27(15-17-28)13-12-24-22(29)25-18-8-4-6-10-20(18)30-2/h4-11H,3,12-17H2,1-2H3,(H,26,32)(H2,24,25,29)