1-cycloheptyl-1-[[3-[[cycloheptyl(phenylcarbamothioyl)amino]methyl]phenyl]methyl]-3-phenyl-thiourea

Systemtic Name: 1-cycloheptyl-1-[[3-[[cycloheptyl(phenylcarbamothioyl)amino]methyl]phenyl]methyl]-3-phenyl-thiourea Openeye Name: 1-cycloheptyl-1-[[3-[[cycloheptyl(phenylcarbamothioyl)amino]methyl]phenyl]methyl]-3-phenyl-thiourea CAS Name: 1-[[3-[[[anilino(sulfanylidene)methyl]-cycloheptylamino]methyl]phenyl]methyl]-1-cycloheptyl-3-phenylthiourea IUPAC Name: 1-cycloheptyl-1-[[3-[[cycloheptyl(phenylcarbamothioyl)amino]methyl]phenyl]methyl]-3-phenylthiourea Traditional Name: 1-cycloheptyl-1-[3-[[cycloheptyl(phenylthiocarbamoyl)amino]methyl]benzyl]-3-phenyl-thiourea Formula: C36H46N4S2 MolecularWeight: 598.90724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N(CC2=CC(=CC=C2)CN(C3CCCCCC3)C(=S)NC4=CC=CC=C4)C(=S)NC5=CC=CC=C5

Isomeric SMILES

C1CCCC(CC1)N(CC2=CC(=CC=C2)CN(C3CCCCCC3)C(=S)NC4=CC=CC=C4)C(=S)NC5=CC=CC=C5

InChI

InChI=1S/C36H46N4S2/c41-35(37-31-18-7-5-8-19-31)39(33-22-11-1-2-12-23-33)27-29-16-15-17-30(26-29)28-40(34-24-13-3-4-14-25-34)36(42)38-32-20-9-6-10-21-32/h5-10,15-21,26,33-34H,1-4,11-14,22-25,27-28H2,(H,37,41)(H,38,42)