1-[(E)-[4-(4-methylphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazol-2-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[4-(4-methylphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazol-2-yl]methylideneamino]thiourea Openeye Name: [(E)-[5-(1-piperidyl)-4-(p-tolylsulfonyl)oxazol-2-yl]methyleneamino]thiourea CAS Name: [(E)-[4-(4-methylphenyl)sulfonyl-5-(1-piperidinyl)-2-oxazolyl]methylideneamino]thiourea IUPAC Name: [(E)-[4-(4-methylphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazol-2-yl]methylideneamino]thiourea Traditional Name: [(E)-(5-piperidino-4-tosyl-oxazol-2-yl)methyleneamino]thiourea Formula: C17H21N5O3S2 MolecularWeight: 407.51034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C=NNC(=S)N)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)/C=N/NC(=S)N)N3CCCCC3

InChI

InChI=1S/C17H21N5O3S2/c1-12-5-7-13(8-6-12)27(23,24)15-16(22-9-3-2-4-10-22)25-14(20-15)11-19-21-17(18)26/h5-8,11H,2-4,9-10H2,1H3,(H3,18,21,26)/b19-11+