1-[3-(1-pentylpiperidin-4-yl)-1-benzothiophen-5-yl]-3-(4-phenylphenyl)thiourea

Systemtic Name: 1-[3-(1-pentylpiperidin-4-yl)-1-benzothiophen-5-yl]-3-(4-phenylphenyl)thiourea Openeye Name: 1-[3-(1-pentyl-4-piperidyl)benzothiophen-5-yl]-3-(4-phenylphenyl)thiourea CAS Name: 1-[3-(1-pentyl-4-piperidinyl)-1-benzothiophen-5-yl]-3-(4-phenylphenyl)thiourea IUPAC Name: 1-[3-(1-pentylpiperidin-4-yl)-1-benzothiophen-5-yl]-3-(4-phenylphenyl)thiourea Traditional Name: 1-[3-(1-amyl-4-piperidyl)benzothiophen-5-yl]-3-(4-phenylphenyl)thiourea Formula: C31H35N3S2 MolecularWeight: 513.7597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(CC1)C2=CSC3=C2C=C(C=C3)NC(=S)NC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCCN1CCC(CC1)C2=CSC3=C2C=C(C=C3)NC(=S)NC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H35N3S2/c1-2-3-7-18-34-19-16-25(17-20-34)29-22-36-30-15-14-27(21-28(29)30)33-31(35)32-26-12-10-24(11-13-26)23-8-5-4-6-9-23/h4-6,8-15,21-22,25H,2-3,7,16-20H2,1H3,(H2,32,33,35)