1-phenethyl-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea

Systemtic Name: 1-phenethyl-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea Openeye Name: 1-phenethyl-3-[4-(1-piperidylmethyl)phenyl]thiourea CAS Name: 1-phenethyl-3-[4-(1-piperidinylmethyl)phenyl]thiourea IUPAC Name: 1-phenethyl-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea Traditional Name: 1-phenethyl-3-[4-(piperidinomethyl)phenyl]thiourea Formula: C21H27N3S MolecularWeight: 353.52418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3S/c25-21(22-14-13-18-7-3-1-4-8-18)23-20-11-9-19(10-12-20)17-24-15-5-2-6-16-24/h1,3-4,7-12H,2,5-6,13-17H2,(H2,22,23,25)