ethyl 4-(4-azanyl-5-piperidin-1-ylcarbonyl-2-sulfanylidene-1,3-thiazol-3-yl)benzoate

Systemtic Name: ethyl 4-(4-azanyl-5-piperidin-1-ylcarbonyl-2-sulfanylidene-1,3-thiazol-3-yl)benzoate Openeye Name: ethyl 4-[4-amino-5-(piperidine-1-carbonyl)-2-thioxo-thiazol-3-yl]benzoate CAS Name: 4-[4-amino-5-[oxo(1-piperidinyl)methyl]-2-sulfanylidene-3-thiazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-amino-5-(piperidine-1-carbonyl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Traditional Name: 4-[4-amino-5-(piperidine-1-carbonyl)-2-thioxo-4-thiazolin-3-yl]benzoic acid ethyl ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N3CCCCC3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N3CCCCC3)N

InChI

InChI=1S/C18H21N3O3S2/c1-2-24-17(23)12-6-8-13(9-7-12)21-15(19)14(26-18(21)25)16(22)20-10-4-3-5-11-20/h6-9H,2-5,10-11,19H2,1H3