1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylamino)-1-oxoethyl]amino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C16H23N6O2S2+ MolecularWeight: 395.52282

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NNC(=O)CNC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)NNC(=O)CNC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H22N6O2S2/c23-14(11-18-16-19-12-3-1-2-4-13(12)26-16)20-21-15(25)17-5-6-22-7-9-24-10-8-22/h1-4H,5-11H2,(H,18,19)(H,20,23)(H2,17,21,25)/p+1