1-phenyl-3-[5,7,7-tricyano-2-methyl-8-(2-oxidanylnaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinolin-6-yl]thiourea

Systemtic Name: 1-phenyl-3-[5,7,7-tricyano-2-methyl-8-(2-oxidanylnaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinolin-6-yl]thiourea Openeye Name: 1-phenyl-3-[5,7,7-tricyano-8-(2-hydroxy-1-naphthyl)-2-methyl-1,3,8,8a-tetrahydroisoquinolin-6-yl]thiourea CAS Name: 1-phenyl-3-[5,7,7-tricyano-8-(2-hydroxy-1-naphthalenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinolin-6-yl]thiourea IUPAC Name: 1-phenyl-3-[5,7,7-tricyano-8-(2-hydroxynaphthalen-1-yl)-2-methyl-1,3,8,8a-tetrahydroisoquinolin-6-yl]thiourea Traditional Name: 1-phenyl-3-[5,7,7-tricyano-8-(2-hydroxy-1-naphthyl)-2-methyl-1,3,8,8a-tetrahydroisoquinolin-6-yl]thiourea Formula: C30H24N6OS MolecularWeight: 516.61616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC=C2C(C1)C(C(C(=C2C#N)NC(=S)NC3=CC=CC=C3)(C#N)C#N)C4=C(C=CC5=CC=CC=C54)O

Isomeric SMILES

CN1CC=C2C(C1)C(C(C(=C2C#N)NC(=S)NC3=CC=CC=C3)(C#N)C#N)C4=C(C=CC5=CC=CC=C54)O

InChI

InChI=1S/C30H24N6OS/c1-36-14-13-22-23(15-31)28(35-29(38)34-20-8-3-2-4-9-20)30(17-32,18-33)27(24(22)16-36)26-21-10-6-5-7-19(21)11-12-25(26)37/h2-13,24,27,37H,14,16H2,1H3,(H2,34,35,38)