4-(1,3-benzodioxol-5-ylcarbamothioylamino)-N-[3-[3-(diethylaminomethyl)phenoxy]propyl]butanamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbamothioylamino)-N-[3-[3-(diethylaminomethyl)phenoxy]propyl]butanamide Openeye Name: 4-(1,3-benzodioxol-5-ylcarbamothioylamino)-N-[3-[3-(diethylaminomethyl)phenoxy]propyl]butanamide CAS Name: 4-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-N-[3-[3-(diethylaminomethyl)phenoxy]propyl]butanamide IUPAC Name: 4-(1,3-benzodioxol-5-ylcarbamothioylamino)-N-[3-[3-(diethylaminomethyl)phenoxy]propyl]butanamide Traditional Name: 4-(1,3-benzodioxol-5-ylthiocarbamoylamino)-N-[3-[3-(diethylaminomethyl)phenoxy]propyl]butyramide Formula: C26H36N4O4S MolecularWeight: 500.65344

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC(=CC=C1)OCCCNC(=O)CCCNC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC)CC1=CC(=CC=C1)OCCCNC(=O)CCCNC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C26H36N4O4S/c1-3-30(4-2)18-20-8-5-9-22(16-20)32-15-7-14-27-25(31)10-6-13-28-26(35)29-21-11-12-23-24(17-21)34-19-33-23/h5,8-9,11-12,16-17H,3-4,6-7,10,13-15,18-19H2,1-2H3,(H,27,31)(H2,28,29,35)