1-[3-(dimethylamino)propanoylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[3-(dimethylamino)propanoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[3-(dimethylamino)propanoylamino]thiourea CAS Name: 1-[[3-(dimethylamino)-1-oxopropyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[3-(dimethylamino)propanoylamino]thiourea Traditional Name: 1-benzyl-3-[3-(dimethylamino)propanoylamino]thiourea Formula: C13H20N4OS MolecularWeight: 280.3891

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(=O)NNC(=S)NCC1=CC=CC=C1

Isomeric SMILES

CN(C)CCC(=O)NNC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C13H20N4OS/c1-17(2)9-8-12(18)15-16-13(19)14-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,18)(H2,14,16,19)