ethyl 2-[[1-(phenylcarbamoyl)piperidin-4-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(phenylcarbamoyl)piperidin-4-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(phenylcarbamoyl)-4-piperidyl]methylcarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[1-[anilino(oxo)methyl]-4-piperidinyl]methylamino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(phenylcarbamoyl)piperidin-4-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[1-(phenylcarbamoyl)-4-piperidyl]methylcarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NCC3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NCC3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O4S/c1-2-33-23(30)21-19-10-6-7-11-20(19)34-22(21)28-24(31)26-16-17-12-14-29(15-13-17)25(32)27-18-8-4-3-5-9-18/h3-5,8-9,17H,2,6-7,10-16H2,1H3,(H,27,32)(H2,26,28,31)