5-[[4-(4-methoxyphenyl)piperazin-1-yl]carbonylamino]-N-(pyridin-2-ylmethyl)-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: 5-[[4-(4-methoxyphenyl)piperazin-1-yl]carbonylamino]-N-(pyridin-2-ylmethyl)-1,2,3-thiadiazole-4-carboxamide Openeye Name: 5-[[4-(4-methoxyphenyl)piperazine-1-carbonyl]amino]-N-(2-pyridylmethyl)thiadiazole-4-carboxamide CAS Name: 5-[[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]amino]-N-(2-pyridinylmethyl)-4-thiadiazolecarboxamide IUPAC Name: 5-[[4-(4-methoxyphenyl)piperazine-1-carbonyl]amino]-N-(pyridin-2-ylmethyl)thiadiazole-4-carboxamide Traditional Name: 5-[[4-(4-methoxyphenyl)piperazine-1-carbonyl]amino]-N-(2-pyridylmethyl)thiadiazole-4-carboxamide Formula: C21H23N7O3S MolecularWeight: 453.51742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3=C(N=NS3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3=C(N=NS3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C21H23N7O3S/c1-31-17-7-5-16(6-8-17)27-10-12-28(13-11-27)21(30)24-20-18(25-26-32-20)19(29)23-14-15-4-2-3-9-22-15/h2-9H,10-14H2,1H3,(H,23,29)(H,24,30)