4-(phenylcarbamothioylamino)-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]butanamide

Systemtic Name: 4-(phenylcarbamothioylamino)-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]butanamide Openeye Name: 4-(phenylcarbamothioylamino)-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]butanamide CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]-N-[3-[3-(1-pyrrolidinylmethyl)phenoxy]propyl]butanamide IUPAC Name: 4-(phenylcarbamothioylamino)-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]butanamide Traditional Name: 4-(phenylthiocarbamoylamino)-N-[3-[3-(pyrrolidinomethyl)phenoxy]propyl]butyramide Formula: C25H34N4O2S MolecularWeight: 454.62806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O2S/c30-24(13-7-14-27-25(32)28-22-10-2-1-3-11-22)26-15-8-18-31-23-12-6-9-21(19-23)20-29-16-4-5-17-29/h1-3,6,9-12,19H,4-5,7-8,13-18,20H2,(H,26,30)(H2,27,28,32)