1-[[2-bromanyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-ethyl-thiourea

Systemtic Name: 1-[[2-bromanyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-ethyl-thiourea Openeye Name: 1-[[2-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methyleneamino]-3-ethyl-thiourea CAS Name: 1-[[2-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-ethylthiourea IUPAC Name: 1-[[2-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-ethylthiourea Traditional Name: 1-[[2-bromo-5-methoxy-4-(3-nitrobenzyl)oxy-benzylidene]amino]-3-ethyl-thiourea Formula: C18H19BrN4O4S MolecularWeight: 467.33686

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=CC(=C(C=C1Br)OCC2=CC(=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCNC(=S)NN=CC1=CC(=C(C=C1Br)OCC2=CC(=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H19BrN4O4S/c1-3-20-18(28)22-21-10-13-8-16(26-2)17(9-15(13)19)27-11-12-5-4-6-14(7-12)23(24)25/h4-10H,3,11H2,1-2H3,(H2,20,22,28)