1-(3-methylbutyl)-3-(3-methylsulfanylphenyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea

Systemtic Name: 1-(3-methylbutyl)-3-(3-methylsulfanylphenyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea Openeye Name: 1-isopentyl-1-(1-isopropyl-4-piperidyl)-3-(3-methylsulfanylphenyl)thiourea CAS Name: 1-(3-methylbutyl)-3-[3-(methylthio)phenyl]-1-(1-propan-2-yl-4-piperidinyl)thiourea IUPAC Name: 1-(3-methylbutyl)-3-(3-methylsulfanylphenyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea Traditional Name: 1-isoamyl-1-(1-isopropyl-4-piperidyl)-3-[3-(methylthio)phenyl]thiourea Formula: C21H35N3S2 MolecularWeight: 393.6527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1CCN(CC1)C(C)C)C(=S)NC2=CC(=CC=C2)SC

Isomeric SMILES

CC(C)CCN(C1CCN(CC1)C(C)C)C(=S)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C21H35N3S2/c1-16(2)9-14-24(19-10-12-23(13-11-19)17(3)4)21(25)22-18-7-6-8-20(15-18)26-5/h6-8,15-17,19H,9-14H2,1-5H3,(H,22,25)