propyl 2-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: propyl 2-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: propyl 2-[1-[(3-chlorobenzothiophene-2-carbonyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propyl ester IUPAC Name: propyl 2-[1-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid propyl ester Formula: C19H20ClN3O4S2 MolecularWeight: 453.9628

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C19H20ClN3O4S2/c1-2-9-27-14(24)10-12-17(25)21-7-8-23(12)19(28)22-18(26)16-15(20)11-5-3-4-6-13(11)29-16/h3-6,12H,2,7-10H2,1H3,(H,21,25)(H,22,26,28)