methyl 3-[[4-[(2-piperazin-1-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-[(2-piperazin-1-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-[(2-piperazin-1-ylphenyl)carbamoyl]thiazol-2-yl]amino]thiophene-2-carboxylate CAS Name: 3-[[4-[oxo-[2-(1-piperazinyl)anilino]methyl]-2-thiazolyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[(2-piperazin-1-ylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-[(2-piperazinophenyl)carbamoyl]thiazol-2-yl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC2=NC(=CS2)C(=O)NC3=CC=CC=C3N4CCNCC4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC2=NC(=CS2)C(=O)NC3=CC=CC=C3N4CCNCC4

InChI

InChI=1S/C20H21N5O3S2/c1-28-19(27)17-14(6-11-29-17)23-20-24-15(12-30-20)18(26)22-13-4-2-3-5-16(13)25-9-7-21-8-10-25/h2-6,11-12,21H,7-10H2,1H3,(H,22,26)(H,23,24)