1-cyclohexyl-3-[3-(cyclohexylcarbamothioylamino)-4-nitro-phenyl]thiourea

Systemtic Name: 1-cyclohexyl-3-[3-(cyclohexylcarbamothioylamino)-4-nitro-phenyl]thiourea Openeye Name: 1-cyclohexyl-3-[3-(cyclohexylcarbamothioylamino)-4-nitro-phenyl]thiourea CAS Name: 1-cyclohexyl-3-[3-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-4-nitrophenyl]thiourea IUPAC Name: 1-cyclohexyl-3-[3-(cyclohexylcarbamothioylamino)-4-nitrophenyl]thiourea Traditional Name: 1-cyclohexyl-3-[3-(cyclohexylthiocarbamoylamino)-4-nitro-phenyl]thiourea Formula: C20H29N5O2S2 MolecularWeight: 435.60656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC2=CC(=C(C=C2)[N+](=O)[O-])NC(=S)NC3CCCCC3

Isomeric SMILES

C1CCC(CC1)NC(=S)NC2=CC(=C(C=C2)[N+](=O)[O-])NC(=S)NC3CCCCC3

InChI

InChI=1S/C20H29N5O2S2/c26-25(27)18-12-11-16(23-19(28)21-14-7-3-1-4-8-14)13-17(18)24-20(29)22-15-9-5-2-6-10-15/h11-15H,1-10H2,(H2,21,23,28)(H2,22,24,29)