methyl N-[1-[4-(3,4-dimethylphenoxy)butyl]piperidin-4-yl]-N-methyl-N'-phenyl-carbamimidothioate

Systemtic Name: methyl N-[1-[4-(3,4-dimethylphenoxy)butyl]piperidin-4-yl]-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: 1-[1-[4-(3,4-dimethylphenoxy)butyl]-4-piperidyl]-1,2-dimethyl-3-phenyl-isothiourea CAS Name: N-[1-[4-(3,4-dimethylphenoxy)butyl]-4-piperidinyl]-N-methyl-N'-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[1-[4-(3,4-dimethylphenoxy)butyl]piperidin-4-yl]-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 1-[1-[4-(3,4-dimethylphenoxy)butyl]-4-piperidyl]-1,2-dimethyl-3-phenyl-isothiourea Formula: C26H37N3OS MolecularWeight: 439.65648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCCCN2CCC(CC2)N(C)C(=NC3=CC=CC=C3)SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCCCN2CCC(CC2)N(C)C(=NC3=CC=CC=C3)SC)C

InChI

InChI=1S/C26H37N3OS/c1-21-12-13-25(20-22(21)2)30-19-9-8-16-29-17-14-24(15-18-29)28(3)26(31-4)27-23-10-6-5-7-11-23/h5-7,10-13,20,24H,8-9,14-19H2,1-4H3