1-(2,5-dimethylphenyl)-3-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[(E)-[2-(1-piperidyl)-4-(2-thienyl)thiazol-5-yl]methyleneamino]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[(E)-[2-(1-piperidinyl)-4-thiophen-2-yl-5-thiazolyl]methylideneamino]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[(E)-[2-piperidino-4-(2-thienyl)thiazol-5-yl]methyleneamino]thiourea Formula: C22H25N5S3 MolecularWeight: 455.6624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NN=CC2=C(N=C(S2)N3CCCCC3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N/N=C/C2=C(N=C(S2)N3CCCCC3)C4=CC=CS4

InChI

InChI=1S/C22H25N5S3/c1-15-8-9-16(2)17(13-15)24-21(28)26-23-14-19-20(18-7-6-12-29-18)25-22(30-19)27-10-4-3-5-11-27/h6-9,12-14H,3-5,10-11H2,1-2H3,(H2,24,26,28)/b23-14+