N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide Formula: C18H19N3O4S3 MolecularWeight: 437.55616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H19N3O4S3/c1-18(2,25-3)8-9-26-17-20-12-5-4-11(10-14(12)28-17)19-16(22)13-6-7-15(27-13)21(23)24/h4-7,10H,8-9H2,1-3H3,(H,19,22)