1-(3-chloranyl-2-methyl-phenyl)-3-(propylcarbamothioylamino)thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-(propylcarbamothioylamino)thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-(propylcarbamothioylamino)thiourea CAS Name: 1-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-3-propylthiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-(propylcarbamothioylamino)thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-(propylthiocarbamoylamino)thiourea Formula: C12H17ClN4S2 MolecularWeight: 316.87318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN4S2/c1-3-7-14-11(18)16-17-12(19)15-10-6-4-5-9(13)8(10)2/h4-6H,3,7H2,1-2H3,(H2,14,16,18)(H2,15,17,19)