methyl 3-chloranyl-6-[(4-propylpiperazin-1-yl)carbothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(4-propylpiperazin-1-yl)carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-propylpiperazine-1-carbothioyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(4-propyl-1-piperazinyl)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-propylpiperazine-1-carbothioyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-propylpiperazine-1-carbothioyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H22ClN3O2S2 MolecularWeight: 411.96918

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CCCN1CCN(CC1)C(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C18H22ClN3O2S2/c1-3-6-21-7-9-22(10-8-21)18(25)20-12-4-5-13-14(11-12)26-16(15(13)19)17(23)24-2/h4-5,11H,3,6-10H2,1-2H3,(H,20,25)