N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-pyrrol-1-yl-benzamide Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2)NCCNC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2)NCCNC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C20H18N4OS/c25-20(15-7-9-16(10-8-15)24-13-3-4-14-24)22-12-11-21-19-17-5-1-2-6-18(17)26-23-19/h1-10,13-14H,11-12H2,(H,21,23)(H,22,25)