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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-(pentylcarbamothioylamino)thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-(pentylcarbamothioylamino)thiourea CAS Name: 1-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-3-pentylthiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-(pentylcarbamothioylamino)thiourea Traditional Name: 1-amyl-3-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]thiourea Formula: C14H21ClN4S2 MolecularWeight: 344.92634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21ClN4S2/c1-3-4-5-9-16-13(20)18-19-14(21)17-12-8-6-7-11(15)10(12)2/h6-8H,3-5,9H2,1-2H3,(H2,16,18,20)(H2,17,19,21)