1-[2-(1-adamantyl)ethanoylamino]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[2-(1-adamantyl)ethanoylamino]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[2-(1-adamantyl)-1-oxoethyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[[2-(1-adamantyl)acetyl]amino]-3-(4-nitrophenyl)thiourea Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3S/c24-17(11-19-8-12-5-13(9-19)7-14(6-12)10-19)21-22-18(27)20-15-1-3-16(4-2-15)23(25)26/h1-4,12-14H,5-11H2,(H,21,24)(H2,20,22,27)