2-[1-[(4-fluorophenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]-N-(3-methoxyphenyl)ethanamide

Systemtic Name: 2-[1-[(4-fluorophenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[1-[(4-fluorophenyl)carbamothioyl]-3-oxo-piperazin-2-yl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[1-[(4-fluoroanilino)-sulfanylidenemethyl]-3-oxo-2-piperazinyl]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[1-[(4-fluorophenyl)carbamothioyl]-3-oxopiperazin-2-yl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[1-[(4-fluorophenyl)thiocarbamoyl]-3-keto-piperazin-2-yl]-N-(3-methoxyphenyl)acetamide Formula: C20H21FN4O3S MolecularWeight: 416.469143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN4O3S/c1-28-16-4-2-3-15(11-16)23-18(26)12-17-19(27)22-9-10-25(17)20(29)24-14-7-5-13(21)6-8-14/h2-8,11,17H,9-10,12H2,1H3,(H,22,27)(H,23,26)(H,24,29)