1-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)-3-phenyl-thiourea

Systemtic Name: 1-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)-3-phenyl-thiourea Openeye Name: 1-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)-3-phenyl-thiourea CAS Name: 1-(2-cyano-1-spiro[4H-naphthalene-3,1'-cyclopentane]yl)-3-phenylthiourea IUPAC Name: 1-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)-3-phenylthiourea Traditional Name: 1-(2-cyanospiro[4H-naphthalene-3,1'-cyclopentane]-1-yl)-3-phenyl-thiourea Formula: C22H21N3S MolecularWeight: 359.48724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CC3=CC=CC=C3C(=C2C#N)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

C1CCC2(C1)CC3=CC=CC=C3C(=C2C#N)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C22H21N3S/c23-15-19-20(25-21(26)24-17-9-2-1-3-10-17)18-11-5-4-8-16(18)14-22(19)12-6-7-13-22/h1-5,8-11H,6-7,12-14H2,(H2,24,25,26)