1-[2-(1-adamantyl)ethanoylamino]-3-(2-chloranyl-5-nitro-phenyl)thiourea

Systemtic Name: 1-[2-(1-adamantyl)ethanoylamino]-3-(2-chloranyl-5-nitro-phenyl)thiourea Openeye Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-(2-chloro-5-nitro-phenyl)thiourea CAS Name: 1-[[2-(1-adamantyl)-1-oxoethyl]amino]-3-(2-chloro-5-nitrophenyl)thiourea IUPAC Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-(2-chloro-5-nitrophenyl)thiourea Traditional Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-(2-chloro-5-nitro-phenyl)thiourea Formula: C19H23ClN4O3S MolecularWeight: 422.92892

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NNC(=S)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NNC(=S)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H23ClN4O3S/c20-15-2-1-14(24(26)27)6-16(15)21-18(28)23-22-17(25)10-19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13H,3-5,7-10H2,(H,22,25)(H2,21,23,28)