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

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-(3-ethoxypropylcarbamothioylamino)thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-(3-ethoxypropylcarbamothioylamino)thiourea CAS Name: 1-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-3-(3-ethoxypropyl)thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-(3-ethoxypropylcarbamothioylamino)thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-(3-ethoxypropylthiocarbamoylamino)thiourea Formula: C13H18ClN5O3S2 MolecularWeight: 391.89672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN5O3S2/c1-2-22-7-3-6-15-12(23)17-18-13(24)16-11-8-9(19(20)21)4-5-10(11)14/h4-5,8H,2-3,6-7H2,1H3,(H2,15,17,23)(H2,16,18,24)