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

Systemtic Name: dodecyl 2-[3-oxidanylidene-1-[(4-phenylphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[3-oxo-1-[(4-phenylbenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[3-oxo-1-[(4-phenylbenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(4-phenylbenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid lauryl ester Formula: C32H43N3O4S MolecularWeight: 565.76652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C32H43N3O4S/c1-2-3-4-5-6-7-8-9-10-14-23-39-29(36)24-28-31(38)33-21-22-35(28)32(40)34-30(37)27-19-17-26(18-20-27)25-15-12-11-13-16-25/h11-13,15-20,28H,2-10,14,21-24H2,1H3,(H,33,38)(H,34,37,40)