3-[(3S)-octan-3-yl]-1,1-bis(phenylmethyl)thiourea

Systemtic Name: 3-[(3S)-octan-3-yl]-1,1-bis(phenylmethyl)thiourea Openeye Name: 1,1-dibenzyl-3-[(1S)-1-ethylhexyl]thiourea CAS Name: 3-[(3S)-octan-3-yl]-1,1-bis(phenylmethyl)thiourea IUPAC Name: 1,1-dibenzyl-3-[(3S)-octan-3-yl]thiourea Traditional Name: 1,1-dibenzyl-3-[(1S)-1-ethylhexyl]thiourea Formula: C23H32N2S MolecularWeight: 368.57858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=S)N(CC1=CC=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

CCCCC[C@H](CC)NC(=S)N(CC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C23H32N2S/c1-3-5-8-17-22(4-2)24-23(26)25(18-20-13-9-6-10-14-20)19-21-15-11-7-12-16-21/h6-7,9-16,22H,3-5,8,17-19H2,1-2H3,(H,24,26)/t22-/m0/s1