1-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-ethyl-thiourea

Systemtic Name: 1-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-ethyl-thiourea Openeye Name: 1-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-ethyl-thiourea CAS Name: 1-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-3-pyrrolyl]methylideneamino]-3-ethylthiourea IUPAC Name: 1-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-ethylthiourea Traditional Name: 1-[[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-ethyl-thiourea Formula: C26H34N4S MolecularWeight: 434.63996

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=C(N(C(=C1)C)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCNC(=S)NN=CC1=C(N(C(=C1)C)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C26H34N4S/c1-4-27-25(31)29-28-16-22-9-17(2)30(18(22)3)24-7-5-23(6-8-24)26-13-19-10-20(14-26)12-21(11-19)15-26/h5-9,16,19-21H,4,10-15H2,1-3H3,(H2,27,29,31)