1-(1-adamantylmethyl)-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-(1-adamantylmethyl)-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-(1-adamantylmethyl)-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-(1-adamantylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-(1-adamantylmethyl)-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-(1-adamantylmethyl)-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H25N3O3S/c1-25-17-7-15(22(23)24)2-3-16(17)21-18(26)20-11-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14H,4-6,8-11H2,1H3,(H2,20,21,26)