1-azanyl-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-2,5,6-tris(oxidanylidene)piperidin-3-ylidene]amino]urea

Systemtic Name: 1-azanyl-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-2,5,6-tris(oxidanylidene)piperidin-3-ylidene]amino]urea Openeye Name: 1-amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-2,5,6-trioxo-3-piperidylidene]amino]urea CAS Name: 1-amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-2,5,6-trioxo-3-piperidinylidene]amino]urea IUPAC Name: 1-amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-2,5,6-trioxopiperidin-3-ylidene]amino]urea Traditional Name: 1-amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-2,5,6-triketo-3-piperidylidene]amino]urea Formula: C21H18N6O4S MolecularWeight: 450.47042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C(=NNC(=O)NN)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)/C(=N\NC(=O)NN)/C(C(=O)C2=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N6O4S/c1-10-7-8-11(2)13(9-10)27-19(29)16(25-26-21(31)24-22)15(17(28)20(27)30)18-23-12-5-3-4-6-14(12)32-18/h3-9,15H,22H2,1-2H3,(H2,24,26,31)/b25-16-