3-[(4-methylphenyl)carbonylamino]-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]pyrazine-2-carboxamide

Systemtic Name: 3-[(4-methylphenyl)carbonylamino]-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]pyrazine-2-carboxamide Openeye Name: 3-[(4-methylbenzoyl)amino]-N-[1-(3-thienylmethyl)-4-piperidyl]pyrazine-2-carboxamide CAS Name: 3-[[(4-methylphenyl)-oxomethyl]amino]-N-[1-(3-thiophenylmethyl)-4-piperidinyl]-2-pyrazinecarboxamide IUPAC Name: 3-[(4-methylbenzoyl)amino]-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]pyrazine-2-carboxamide Traditional Name: 3-(p-toluoylamino)-N-[1-(3-thenyl)-4-piperidyl]pyrazinamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NC=CN=C2C(=O)NC3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=NC=CN=C2C(=O)NC3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C23H25N5O2S/c1-16-2-4-18(5-3-16)22(29)27-21-20(24-9-10-25-21)23(30)26-19-6-11-28(12-7-19)14-17-8-13-31-15-17/h2-5,8-10,13,15,19H,6-7,11-12,14H2,1H3,(H,26,30)(H,25,27,29)