1-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]-3-(4-ethoxyphenyl)thiourea

Systemtic Name: 1-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methyleneamino]-3-(4-ethoxyphenyl)thiourea CAS Name: 1-[(Z)-[1-(2-cyanoethyl)-3-indolyl]methylideneamino]-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methyleneamino]-3-p-phenetyl-thiourea Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NN=CC2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N/N=C\C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C21H21N5OS/c1-2-27-18-10-8-17(9-11-18)24-21(28)25-23-14-16-15-26(13-5-12-22)20-7-4-3-6-19(16)20/h3-4,6-11,14-15H,2,5,13H2,1H3,(H2,24,25,28)/b23-14-