methyl 2-[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]carbothioylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]carbothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[[4-(1,2-benzothiazol-3-yl)piperazine-1-carbothioyl]amino]phenyl]acetate CAS Name: 2-[4-[[[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[4-(1,2-benzothiazol-3-yl)piperazine-1-carbothioyl]amino]phenyl]acetate Traditional Name: 2-[4-[[4-(1,2-benzothiazol-3-yl)piperazine-1-carbothioyl]amino]phenyl]acetic acid methyl ester Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C21H22N4O2S2/c1-27-19(26)14-15-6-8-16(9-7-15)22-21(28)25-12-10-24(11-13-25)20-17-4-2-3-5-18(17)29-23-20/h2-9H,10-14H2,1H3,(H,22,28)