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

Systemtic Name: N-[2-(dimethylamino)-2-phenyl-ethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[2-(dimethylamino)-2-phenyl-ethyl]-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[2-(dimethylamino)-2-phenyl-ethyl]-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S2/c1-14-13-29-21(23-14)30-19-10-9-16(11-17(19)25(27)28)20(26)22-12-18(24(2)3)15-7-5-4-6-8-15/h4-11,13,18H,12H2,1-3H3,(H,22,26)