1-(4-bromanyl-3-methyl-phenyl)-3-[1-(phenylmethyl)piperidin-4-yl]thiourea

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-[1-(phenylmethyl)piperidin-4-yl]thiourea Openeye Name: 1-(1-benzyl-4-piperidyl)-3-(4-bromo-3-methyl-phenyl)thiourea CAS Name: 1-(4-bromo-3-methylphenyl)-3-[1-(phenylmethyl)-4-piperidinyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-4-yl)-3-(4-bromo-3-methylphenyl)thiourea Traditional Name: 1-(1-benzyl-4-piperidyl)-3-(4-bromo-3-methyl-phenyl)thiourea Formula: C20H24BrN3S MolecularWeight: 418.39366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C20H24BrN3S/c1-15-13-18(7-8-19(15)21)23-20(25)22-17-9-11-24(12-10-17)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14H2,1H3,(H2,22,23,25)