N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-(2-methyl-4-nitro-imidazol-1-yl)propanamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-(2-methyl-4-nitro-imidazol-1-yl)propanamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-(2-methyl-4-nitro-imidazol-1-yl)propanamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-1-imidazolyl)propanamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-imidazol-1-yl)propionamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C=C(N=C3C)[N+](=O)[O-]

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C=C(N=C3C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3S2/c1-3-4-5-6-7-12-30-21-24-17-9-8-16(13-18(17)31-21)23-20(27)10-11-25-14-19(26(28)29)22-15(25)2/h8-9,13-14H,3-4,7,10-12H2,1-2H3,(H,23,27)