N-[4-(benzo[e][1,3]benzothiazol-2-ylamino)-4-oxidanylidene-butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-(benzo[e][1,3]benzothiazol-2-ylamino)-4-oxidanylidene-butyl]thiophene-2-carboxamide Openeye Name: N-[4-(benzo[e][1,3]benzothiazol-2-ylamino)-4-oxo-butyl]thiophene-2-carboxamide CAS Name: N-[4-(2-benzo[e][1,3]benzothiazolylamino)-4-oxobutyl]-2-thiophenecarboxamide IUPAC Name: N-[4-(benzo[e][1,3]benzothiazol-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide Traditional Name: N-[4-(benzo[e][1,3]benzothiazol-2-ylamino)-4-keto-butyl]thiophene-2-carboxamide Formula: C20H17N3O2S2 MolecularWeight: 395.49788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)CCCNC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)CCCNC(=O)C4=CC=CS4

InChI

InChI=1S/C20H17N3O2S2/c24-17(8-3-11-21-19(25)16-7-4-12-26-16)22-20-23-18-14-6-2-1-5-13(14)9-10-15(18)27-20/h1-2,4-7,9-10,12H,3,8,11H2,(H,21,25)(H,22,23,24)