3-(3-methylbutoxy)-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]benzamide

Systemtic Name: 3-(3-methylbutoxy)-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]benzamide Openeye Name: N-[(1-benzyl-4-piperidyl)carbamothioyl]-3-isopentyloxy-benzamide CAS Name: 3-(3-methylbutoxy)-N-[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(1-benzylpiperidin-4-yl)carbamothioyl]-3-(3-methylbutoxy)benzamide Traditional Name: N-[(1-benzyl-4-piperidyl)thiocarbamoyl]-3-isoamoxy-benzamide Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O2S/c1-19(2)13-16-30-23-10-6-9-21(17-23)24(29)27-25(31)26-22-11-14-28(15-12-22)18-20-7-4-3-5-8-20/h3-10,17,19,22H,11-16,18H2,1-2H3,(H2,26,27,29,31)