prop-2-ynyl 4-[4-[(phenylcarbamothioylamino)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[4-[(phenylcarbamothioylamino)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[(phenylcarbamothioylamino)carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[[anilino(sulfanylidene)methyl]hydrazo]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[(phenylcarbamothioylamino)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(phenylthiocarbamoylamino)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NNC(=S)NC3=CC=CC=C3

Isomeric SMILES

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NNC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O3S2/c1-2-12-28-20(27)25-10-8-14(9-11-25)18-22-16(13-30-18)17(26)23-24-19(29)21-15-6-4-3-5-7-15/h1,3-7,13-14H,8-12H2,(H,23,26)(H2,21,24,29)