dodecyl 2-[1-[(4-tert-butylphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: dodecyl 2-[1-[(4-tert-butylphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-[(4-tert-butylbenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[(4-tert-butylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(4-tert-butylbenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C30H47N3O4S MolecularWeight: 545.77688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C30H47N3O4S/c1-5-6-7-8-9-10-11-12-13-14-21-37-26(34)22-25-28(36)31-19-20-33(25)29(38)32-27(35)23-15-17-24(18-16-23)30(2,3)4/h15-18,25H,5-14,19-22H2,1-4H3,(H,31,36)(H,32,35,38)