4-[(2-methoxy-6-methyl-phenyl)carbamothioylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide

Systemtic Name: 4-[(2-methoxy-6-methyl-phenyl)carbamothioylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Openeye Name: 4-[(2-methoxy-6-methyl-phenyl)carbamothioylamino]-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]butanamide CAS Name: 4-[[(2-methoxy-6-methylanilino)-sulfanylidenemethyl]amino]-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]butanamide IUPAC Name: 4-[(2-methoxy-6-methylphenyl)carbamothioylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Traditional Name: 4-[(2-methoxy-6-methyl-phenyl)thiocarbamoylamino]-N-[3-[3-(piperidinomethyl)phenoxy]propyl]butyramide Formula: C28H40N4O3S MolecularWeight: 512.7072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC)NC(=S)NCCCC(=O)NCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)OC)NC(=S)NCCCC(=O)NCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C28H40N4O3S/c1-22-10-6-13-25(34-2)27(22)31-28(36)30-15-8-14-26(33)29-16-9-19-35-24-12-7-11-23(20-24)21-32-17-4-3-5-18-32/h6-7,10-13,20H,3-5,8-9,14-19,21H2,1-2H3,(H,29,33)(H2,30,31,36)