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

Systemtic Name: 4-[(2-nitrophenyl)carbamothioylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Openeye Name: 4-[(2-nitrophenyl)carbamothioylamino]-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]butanamide CAS Name: 4-[[(2-nitroanilino)-sulfanylidenemethyl]amino]-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]butanamide IUPAC Name: 4-[(2-nitrophenyl)carbamothioylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Traditional Name: 4-[(2-nitrophenyl)thiocarbamoylamino]-N-[3-[3-(piperidinomethyl)phenoxy]propyl]butyramide Formula: C26H35N5O4S MolecularWeight: 513.6522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CCCNC(=S)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CCCNC(=S)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C26H35N5O4S/c32-25(13-7-14-28-26(36)29-23-11-2-3-12-24(23)31(33)34)27-15-8-18-35-22-10-6-9-21(19-22)20-30-16-4-1-5-17-30/h2-3,6,9-12,19H,1,4-5,7-8,13-18,20H2,(H,27,32)(H2,28,29,36)