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

Systemtic Name: methyl 3-chloranyl-6-[(2-ethylpiperidin-1-yl)carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2-ethylpiperidine-1-carbothioyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(2-ethyl-1-piperidinyl)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2-ethylpiperidine-1-carbothioyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(2-ethylpiperidine-1-carbothioyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H21ClN2O2S2 MolecularWeight: 396.95454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CCC1CCCCN1C(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C18H21ClN2O2S2/c1-3-12-6-4-5-9-21(12)18(24)20-11-7-8-13-14(10-11)25-16(15(13)19)17(22)23-2/h7-8,10,12H,3-6,9H2,1-2H3,(H,20,24)