4-(naphthalen-1-ylcarbamothioylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide

Systemtic Name: 4-(naphthalen-1-ylcarbamothioylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Openeye Name: 4-(1-naphthylcarbamothioylamino)-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]butanamide CAS Name: 4-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]butanamide IUPAC Name: 4-(naphthalen-1-ylcarbamothioylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Traditional Name: 4-(1-naphthylthiocarbamoylamino)-N-[3-[3-(piperidinomethyl)phenoxy]propyl]butyramide Formula: C30H38N4O2S MolecularWeight: 518.71332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CCCNC(=S)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CCCNC(=S)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C30H38N4O2S/c35-29(16-8-17-32-30(37)33-28-15-7-12-25-11-2-3-14-27(25)28)31-18-9-21-36-26-13-6-10-24(22-26)23-34-19-4-1-5-20-34/h2-3,6-7,10-15,22H,1,4-5,8-9,16-21,23H2,(H,31,35)(H2,32,33,37)