N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-7-nitro-1H-indole-2-carboxamide

Systemtic Name: N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-7-nitro-1H-indole-2-carboxamide Openeye Name: N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-7-nitro-1H-indole-2-carboxamide CAS Name: N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-7-nitro-1H-indole-2-carboxamide IUPAC Name: N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-7-nitro-1H-indole-2-carboxamide Traditional Name: N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-7-nitro-1H-indole-2-carboxamide Formula: C18H15N5O3S MolecularWeight: 381.4084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2)NCCNC(=O)C3=CC4=C(N3)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2)NCCNC(=O)C3=CC4=C(N3)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O3S/c24-18(13-10-11-4-3-6-14(23(25)26)16(11)21-13)20-9-8-19-17-12-5-1-2-7-15(12)27-22-17/h1-7,10,21H,8-9H2,(H,19,22)(H,20,24)