1-[(4-methylphenyl)methyl]-3-phenyl-1-[(1-phenylcyclopentyl)methyl]thiourea; nitrous acid

Systemtic Name: 1-[(4-methylphenyl)methyl]-3-phenyl-1-[(1-phenylcyclopentyl)methyl]thiourea; nitrous acid Openeye Name: nitrous acid; 3-phenyl-1-[(1-phenylcyclopentyl)methyl]-1-(p-tolylmethyl)thiourea CAS Name: 1-[(4-methylphenyl)methyl]-3-phenyl-1-[(1-phenylcyclopentyl)methyl]thiourea; nitrous acid IUPAC Name: 1-[(4-methylphenyl)methyl]-3-phenyl-1-[(1-phenylcyclopentyl)methyl]thiourea; nitrous acid Traditional Name: 1-(4-methylbenzyl)-3-phenyl-1-[(1-phenylcyclopentyl)methyl]thiourea; nitrous acid Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2(CCCC2)C3=CC=CC=C3)C(=S)NC4=CC=CC=C4.N(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2(CCCC2)C3=CC=CC=C3)C(=S)NC4=CC=CC=C4.N(=O)O

InChI

InChI=1S/C27H30N2S.HNO2/c1-22-14-16-23(17-15-22)20-29(26(30)28-25-12-6-3-7-13-25)21-27(18-8-9-19-27)24-10-4-2-5-11-24;2-1-3/h2-7,10-17H,8-9,18-21H2,1H3,(H,28,30);(H,2,3)