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1-[(1R)-1-(1-adamantyl)butyl]-3-(4-nitrophenyl)thiourea

1-[(1R)-1-(1-adamantyl)butyl]-3-(4-nitrophenyl)thiourea

Systemtic Name:1-[(1R)-1-(1-adamantyl)butyl]-3-(4-nitrophenyl)thiourea
Openeye Name:1-[(1R)-1-(1-adamantyl)butyl]-3-(4-nitrophenyl)thiourea
CAS Name:1-[(1R)-1-(1-adamantyl)butyl]-3-(4-nitrophenyl)thiourea
IUPAC Name:1-[(1R)-1-(1-adamantyl)butyl]-3-(4-nitrophenyl)thiourea
Traditional Name:1-[(1R)-1-(1-adamantyl)butyl]-3-(4-nitrophenyl)thiourea
Formula: C21H29N3O2S
MolecularWeight: 387.53886
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H29N3O2S/c1-2-3-19(21-11-14-8-15(12-21)10-16(9-14)13-21)23-20(27)22-17-4-6-18(7-5-17)24(25)26/h4-7,14-16,19H,2-3,8-13H2,1H3,(H2,22,23,27)/t14?,15?,16?,19-,21?/m1/s1


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