1-[(E)-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]thiourea Openeye Name: [(E)-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyleneamino]thiourea CAS Name: [(E)-[2,5-dimethyl-3-[(4-methyl-1-piperazinyl)methyl]phenyl]methylideneamino]thiourea IUPAC Name: [(E)-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]thiourea Traditional Name: [(E)-[2,5-dimethyl-3-[(4-methylpiperazino)methyl]benzylidene]amino]thiourea Formula: C16H25N5S MolecularWeight: 319.4682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=NNC(=S)N)C)CN2CCN(CC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)/C=N/NC(=S)N)C)CN2CCN(CC2)C

InChI

InChI=1S/C16H25N5S/c1-12-8-14(10-18-19-16(17)22)13(2)15(9-12)11-21-6-4-20(3)5-7-21/h8-10H,4-7,11H2,1-3H3,(H3,17,19,22)/b18-10+