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

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbamothioylamino)-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]butanamide Openeye Name: 4-(1,3-benzodioxol-5-ylcarbamothioylamino)-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]butanamide CAS Name: 4-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-N-[3-[3-(1-pyrrolidinylmethyl)phenoxy]propyl]butanamide IUPAC Name: 4-(1,3-benzodioxol-5-ylcarbamothioylamino)-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]butanamide Traditional Name: 4-(1,3-benzodioxol-5-ylthiocarbamoylamino)-N-[3-[3-(pyrrolidinomethyl)phenoxy]propyl]butyramide Formula: C26H34N4O4S MolecularWeight: 498.63756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC=C2)OCCCNC(=O)CCCNC(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC=C2)OCCCNC(=O)CCCNC(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H34N4O4S/c31-25(8-4-11-28-26(35)29-21-9-10-23-24(17-21)34-19-33-23)27-12-5-15-32-22-7-3-6-20(16-22)18-30-13-1-2-14-30/h3,6-7,9-10,16-17H,1-2,4-5,8,11-15,18-19H2,(H,27,31)(H2,28,29,35)