methyl 2-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]carbonylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(5-chloro-2-thienyl)methyl]piperazine-1-carbonyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-[(5-chloro-2-thienyl)methyl]piperazine-1-carbonyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H20ClN3O3S2 MolecularWeight: 413.942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)N2CCN(CC2)CC3=CC=C(S3)Cl)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)N2CCN(CC2)CC3=CC=C(S3)Cl)C(=O)OC

InChI

InChI=1S/C17H20ClN3O3S2/c1-11-9-13(16(22)24-2)15(25-11)19-17(23)21-7-5-20(6-8-21)10-12-3-4-14(18)26-12/h3-4,9H,5-8,10H2,1-2H3,(H,19,23)