2-ethyl-4-(phenylcarbamothioylamino)-N-[2-(piperidin-1-ylmethyl)phenoxy]-N-propyl-butanamide

Systemtic Name: 2-ethyl-4-(phenylcarbamothioylamino)-N-[2-(piperidin-1-ylmethyl)phenoxy]-N-propyl-butanamide Openeye Name: 2-ethyl-4-(phenylcarbamothioylamino)-N-[2-(1-piperidylmethyl)phenoxy]-N-propyl-butanamide CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]-2-ethyl-N-[2-(1-piperidinylmethyl)phenoxy]-N-propylbutanamide IUPAC Name: 2-ethyl-4-(phenylcarbamothioylamino)-N-[2-(piperidin-1-ylmethyl)phenoxy]-N-propylbutanamide Traditional Name: 2-ethyl-4-(phenylthiocarbamoylamino)-N-[2-(piperidinomethyl)phenoxy]-N-propyl-butyramide Formula: C28H40N4O2S MolecularWeight: 496.7078

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)C(CC)CCNC(=S)NC1=CC=CC=C1)OC2=CC=CC=C2CN3CCCCC3

Isomeric SMILES

CCCN(C(=O)C(CC)CCNC(=S)NC1=CC=CC=C1)OC2=CC=CC=C2CN3CCCCC3

InChI

InChI=1S/C28H40N4O2S/c1-3-19-32(34-26-16-10-9-13-24(26)22-31-20-11-6-12-21-31)27(33)23(4-2)17-18-29-28(35)30-25-14-7-5-8-15-25/h5,7-10,13-16,23H,3-4,6,11-12,17-22H2,1-2H3,(H2,29,30,35)