1-phenylazanyl-1-(1-prop-2-enyl-4,5-dihydrobenzo[e][1,3]benzothiazol-1-ium-2-yl)urea

Systemtic Name: 1-phenylazanyl-1-(1-prop-2-enyl-4,5-dihydrobenzo[e][1,3]benzothiazol-1-ium-2-yl)urea Openeye Name: 1-(1-allyl-4,5-dihydrobenzo[e][1,3]benzothiazol-1-ium-2-yl)-1-anilino-urea CAS Name: 1-anilino-1-(1-prop-2-enyl-4,5-dihydrobenzo[e][1,3]benzothiazol-1-ium-2-yl)urea IUPAC Name: 1-anilino-1-(1-prop-2-enyl-4,5-dihydrobenzo[e][1,3]benzothiazol-1-ium-2-yl)urea Traditional Name: 1-(1-allyl-4,5-dihydrobenzo[e][1,3]benzothiazol-1-ium-2-yl)-1-anilino-urea Formula: C21H21N4OS+ MolecularWeight: 377.48264

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(SC2=C1C3=CC=CC=C3CC2)N(C(=O)N)NC4=CC=CC=C4

Isomeric SMILES

C=CC[N+]1=C(SC2=C1C3=CC=CC=C3CC2)N(C(=O)N)NC4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS/c1-2-14-24-19-17-11-7-6-8-15(17)12-13-18(19)27-21(24)25(20(22)26)23-16-9-4-3-5-10-16/h2-11,23H,1,12-14H2,(H-,22,26)/p+1