4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide

Systemtic Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide Openeye Name: N-[[4-(isopropylcarbamoylamino)phenyl]methyl]-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitro-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]benzamide IUPAC Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide Traditional Name: N-[4-(isopropylcarbamoylamino)benzyl]-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C22H23N5O4S2 MolecularWeight: 485.57912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)NC(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)NC(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4S2/c1-13(2)24-21(29)26-17-7-4-15(5-8-17)11-23-20(28)16-6-9-19(18(10-16)27(30)31)33-22-25-14(3)12-32-22/h4-10,12-13H,11H2,1-3H3,(H,23,28)(H2,24,26,29)