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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-(3-methylbutylcarbamothioylamino)thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-(isopentylcarbamothioylamino)thiourea CAS Name: 1-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-(3-methylbutylcarbamothioylamino)thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-(isoamylthiocarbamoylamino)thiourea Formula: C14H21ClN4S2 MolecularWeight: 344.92634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=S)NCCC(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=S)NCCC(C)C

InChI

InChI=1S/C14H21ClN4S2/c1-9(2)7-8-16-13(20)18-19-14(21)17-12-6-4-5-11(15)10(12)3/h4-6,9H,7-8H2,1-3H3,(H2,16,18,20)(H2,17,19,21)