1-(3-chlorophenyl)-3-[3-(dimethylamino)propylcarbamothioylamino]thiourea

Systemtic Name: 1-(3-chlorophenyl)-3-[3-(dimethylamino)propylcarbamothioylamino]thiourea Openeye Name: 1-(3-chlorophenyl)-3-[3-(dimethylamino)propylcarbamothioylamino]thiourea CAS Name: 1-[[(3-chloroanilino)-sulfanylidenemethyl]amino]-3-[3-(dimethylamino)propyl]thiourea IUPAC Name: 1-(3-chlorophenyl)-3-[3-(dimethylamino)propylcarbamothioylamino]thiourea Traditional Name: 1-(3-chlorophenyl)-3-[3-(dimethylamino)propylthiocarbamoylamino]thiourea Formula: C13H20ClN5S2 MolecularWeight: 345.9144

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=S)NNC(=S)NC1=CC(=CC=C1)Cl

Isomeric SMILES

CN(C)CCCNC(=S)NNC(=S)NC1=CC(=CC=C1)Cl

InChI

InChI=1S/C13H20ClN5S2/c1-19(2)8-4-7-15-12(20)17-18-13(21)16-11-6-3-5-10(14)9-11/h3,5-6,9H,4,7-8H2,1-2H3,(H2,15,17,20)(H2,16,18,21)