N-(2-dimethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(2-dimethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(2-dimethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S2/c1-23(2)12-13-24(20(26)9-6-14-29-17-7-4-3-5-8-17)21-22-18-11-10-16(25(27)28)15-19(18)30-21/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3