1-[1-(1-adamantyl)propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[1-(1-adamantyl)propyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)propyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H29N3O3S/c1-3-19(21-10-13-6-14(11-21)8-15(7-13)12-21)23-20(28)22-17-5-4-16(24(25)26)9-18(17)27-2/h4-5,9,13-15,19H,3,6-8,10-12H2,1-2H3,(H2,22,23,28)