3-[[5-bromanyl-4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[[5-bromanyl-4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[[5-bromo-4-(4-nitrophenyl)thiazol-2-yl]amino]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[[5-bromo-4-(4-nitrophenyl)-2-thiazolyl]amino]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[[5-bromo-4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[[5-bromo-4-(4-nitrophenyl)thiazol-2-yl]amino]-N-cyclopropyl-4-methyl-benzamide Formula: C20H17BrN4O3S MolecularWeight: 473.34298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)NC3=NC(=C(S3)Br)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)NC3=NC(=C(S3)Br)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17BrN4O3S/c1-11-2-3-13(19(26)22-14-6-7-14)10-16(11)23-20-24-17(18(21)29-20)12-4-8-15(9-5-12)25(27)28/h2-5,8-10,14H,6-7H2,1H3,(H,22,26)(H,23,24)