1-(2-chloranyl-5-nitro-phenyl)-3-(3-methylbutylcarbamothioylamino)thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-(3-methylbutylcarbamothioylamino)thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-(isopentylcarbamothioylamino)thiourea CAS Name: 1-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-(3-methylbutylcarbamothioylamino)thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-(isoamylthiocarbamoylamino)thiourea Formula: C13H18ClN5O2S2 MolecularWeight: 375.89732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)CCNC(=S)NNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H18ClN5O2S2/c1-8(2)5-6-15-12(22)17-18-13(23)16-11-7-9(19(20)21)3-4-10(11)14/h3-4,7-8H,5-6H2,1-2H3,(H2,15,17,22)(H2,16,18,23)