1-[[3-bromanyl-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-ethyl-thiourea

Systemtic Name: 1-[[3-bromanyl-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-ethyl-thiourea Openeye Name: 1-[[3-bromo-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]methyleneamino]-3-ethyl-thiourea CAS Name: 1-[[3-bromo-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-ethylthiourea IUPAC Name: 1-[[3-bromo-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-ethylthiourea Traditional Name: 1-[[3-bromo-5-ethoxy-4-(3-nitrobenzyl)oxy-benzylidene]amino]-3-ethyl-thiourea Formula: C19H21BrN4O4S MolecularWeight: 481.36344

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=CC(=C(C(=C1)Br)OCC2=CC(=CC=C2)[N+](=O)[O-])OCC

Isomeric SMILES

CCNC(=S)NN=CC1=CC(=C(C(=C1)Br)OCC2=CC(=CC=C2)[N+](=O)[O-])OCC

InChI

InChI=1S/C19H21BrN4O4S/c1-3-21-19(29)23-22-11-14-9-16(20)18(17(10-14)27-4-2)28-12-13-6-5-7-15(8-13)24(25)26/h5-11H,3-4,12H2,1-2H3,(H2,21,23,29)