1-[(3-nitrophenyl)methyl]-3-phenyl-1-[(1-phenylcyclopentyl)methyl]thiourea

Systemtic Name: 1-[(3-nitrophenyl)methyl]-3-phenyl-1-[(1-phenylcyclopentyl)methyl]thiourea Openeye Name: 1-[(3-nitrophenyl)methyl]-3-phenyl-1-[(1-phenylcyclopentyl)methyl]thiourea CAS Name: 1-[(3-nitrophenyl)methyl]-3-phenyl-1-[(1-phenylcyclopentyl)methyl]thiourea IUPAC Name: 1-[(3-nitrophenyl)methyl]-3-phenyl-1-[(1-phenylcyclopentyl)methyl]thiourea Traditional Name: 1-(3-nitrobenzyl)-3-phenyl-1-[(1-phenylcyclopentyl)methyl]thiourea Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CN(CC2=CC(=CC=C2)[N+](=O)[O-])C(=S)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)(CN(CC2=CC(=CC=C2)[N+](=O)[O-])C(=S)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S/c30-29(31)24-15-9-10-21(18-24)19-28(25(32)27-23-13-5-2-6-14-23)20-26(16-7-8-17-26)22-11-3-1-4-12-22/h1-6,9-15,18H,7-8,16-17,19-20H2,(H,27,32)