4-[(2-phenoxyphenyl)carbamothioylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide

Systemtic Name: 4-[(2-phenoxyphenyl)carbamothioylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Openeye Name: 4-[(2-phenoxyphenyl)carbamothioylamino]-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]butanamide CAS Name: 4-[[(2-phenoxyanilino)-sulfanylidenemethyl]amino]-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]butanamide IUPAC Name: 4-[(2-phenoxyphenyl)carbamothioylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Traditional Name: 4-[(2-phenoxyphenyl)thiocarbamoylamino]-N-[3-[3-(piperidinomethyl)phenoxy]propyl]butyramide Formula: C32H40N4O3S MolecularWeight: 560.75

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CCCNC(=S)NC3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CCCNC(=S)NC3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C32H40N4O3S/c37-31(33-20-11-23-38-28-15-9-12-26(24-28)25-36-21-7-2-8-22-36)18-10-19-34-32(40)35-29-16-5-6-17-30(29)39-27-13-3-1-4-14-27/h1,3-6,9,12-17,24H,2,7-8,10-11,18-23,25H2,(H,33,37)(H2,34,35,40)