propyl 3-[[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]carbamoylamino]benzoate

Systemtic Name: propyl 3-[[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]carbamoylamino]benzoate Openeye Name: propyl 3-[[3-(1-isobutyl-4-piperidyl)benzothiophen-5-yl]carbamoylamino]benzoate CAS Name: 3-[[[[3-[1-(2-methylpropyl)-4-piperidinyl]-1-benzothiophen-5-yl]amino]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-[[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]carbamoylamino]benzoate Traditional Name: 3-[[3-(1-isobutyl-4-piperidyl)benzothiophen-5-yl]carbamoylamino]benzoic acid propyl ester Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)SC=C3C4CCN(CC4)CC(C)C

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)SC=C3C4CCN(CC4)CC(C)C

InChI

InChI=1S/C28H35N3O3S/c1-4-14-34-27(32)21-6-5-7-22(15-21)29-28(33)30-23-8-9-26-24(16-23)25(18-35-26)20-10-12-31(13-11-20)17-19(2)3/h5-9,15-16,18-20H,4,10-14,17H2,1-3H3,(H2,29,30,33)