2-phenoxyethyl 2-[1-[(4-butan-2-yloxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-phenoxyethyl 2-[1-[(4-butan-2-yloxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 2-[3-oxo-1-[(4-sec-butoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[1-[[[(4-butan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-[1-[(4-butan-2-yloxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(4-sec-butoxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid 2-phenoxyethyl ester Formula: C26H31N3O6S MolecularWeight: 513.60584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O6S/c1-3-18(2)35-21-11-9-19(10-12-21)24(31)28-26(36)29-14-13-27-25(32)22(29)17-23(30)34-16-15-33-20-7-5-4-6-8-20/h4-12,18,22H,3,13-17H2,1-2H3,(H,27,32)(H,28,31,36)