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

Systemtic Name: dodecyl 2-[1-[(3-butan-2-yloxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[3-oxo-1-[(3-sec-butoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[1-[[[(3-butan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[(3-butan-2-yloxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(3-sec-butoxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid lauryl ester Formula: C30H47N3O5S MolecularWeight: 561.77628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H47N3O5S/c1-4-6-7-8-9-10-11-12-13-14-20-37-27(34)22-26-29(36)31-18-19-33(26)30(39)32-28(35)24-16-15-17-25(21-24)38-23(3)5-2/h15-17,21,23,26H,4-14,18-20,22H2,1-3H3,(H,31,36)(H,32,35,39)