1-[(E)-[1-(2-chloroethyl)indol-3-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[1-(2-chloroethyl)indol-3-yl]methylideneamino]thiourea Openeye Name: [(E)-[1-(2-chloroethyl)indol-3-yl]methyleneamino]thiourea CAS Name: [(E)-[1-(2-chloroethyl)-3-indolyl]methylideneamino]thiourea IUPAC Name: [(E)-[1-(2-chloroethyl)indol-3-yl]methylideneamino]thiourea Traditional Name: [(E)-[1-(2-chloroethyl)indol-3-yl]methyleneamino]thiourea Formula: C12H13ClN4S MolecularWeight: 280.77642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCCl)C=NNC(=S)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCCl)/C=N/NC(=S)N

InChI

InChI=1S/C12H13ClN4S/c13-5-6-17-8-9(7-15-16-12(14)18)10-3-1-2-4-11(10)17/h1-4,7-8H,5-6H2,(H3,14,16,18)/b15-7+