1-[(Z)-(7-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[(Z)-(7-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(Z)-(7-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[(Z)-(7-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(Z)-(7-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(Z)-(7-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C15H20BrN4O3S+ MolecularWeight: 416.3133

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NN=CC2=CC3=C(C(=C2)Br)OCO3

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)N/N=C\C2=CC3=C(C(=C2)Br)OCO3

InChI

InChI=1S/C15H19BrN4O3S/c16-12-7-11(8-13-14(12)23-10-22-13)9-18-19-15(24)17-1-2-20-3-5-21-6-4-20/h7-9H,1-6,10H2,(H2,17,19,24)/p+1/b18-9-