1-[2-[(3-chloranyl-1,4-dimethyl-piperidin-4-yl)amino]phenyl]-3-cyclohexa-1,5-dien-1-yl-thiourea

Systemtic Name: 1-[2-[(3-chloranyl-1,4-dimethyl-piperidin-4-yl)amino]phenyl]-3-cyclohexa-1,5-dien-1-yl-thiourea Openeye Name: 1-[2-[(3-chloro-1,4-dimethyl-4-piperidyl)amino]phenyl]-3-cyclohexa-1,5-dien-1-yl-thiourea CAS Name: 1-[2-[(3-chloro-1,4-dimethyl-4-piperidinyl)amino]phenyl]-3-(1-cyclohexa-1,5-dienyl)thiourea IUPAC Name: 1-[2-[(3-chloro-1,4-dimethylpiperidin-4-yl)amino]phenyl]-3-cyclohexa-1,5-dien-1-ylthiourea Traditional Name: 1-[2-[(3-chloro-1,4-dimethyl-4-piperidyl)amino]phenyl]-3-cyclohexa-1,5-dien-1-yl-thiourea Formula: C20H27ClN4S MolecularWeight: 390.97318

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1Cl)C)NC2=CC=CC=C2NC(=S)NC3=CCCC=C3

Isomeric SMILES

CC1(CCN(CC1Cl)C)NC2=CC=CC=C2NC(=S)NC3=CCCC=C3

InChI

InChI=1S/C20H27ClN4S/c1-20(12-13-25(2)14-18(20)21)24-17-11-7-6-10-16(17)23-19(26)22-15-8-4-3-5-9-15/h4,6-11,18,24H,3,5,12-14H2,1-2H3,(H2,22,23,26)